UCSF

ZINC36863075

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.30 -0.75 -10.84 4 5 0 82 209.249 1
Mid Mid (pH 6-8) -0.74 -1.94 -53.75 4 5 1 81 210.257 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )